SCHEMBL3745772

SCHEMBL3745772

O=C1OC2(CCC(CO)CC2)CN1c1cncc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 9/20 0.45
KCNH2 Q12809 5/20 0.44
OPRM1 P35372 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
ADRA1A P35348 3/20 0.44
SSTR5 P35346 9/20 0.41
OPRL1 P41146 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3745778 1.00 NPY5R (0.45) NPY5RKCNH2OPRM1SIGMAR1ADRA1A
SCHEMBL13045580 1.00 NPY5R (0.45) NPY5RKCNH2OPRM1SIGMAR1ADRA1A
SCHEMBL3741473 0.85 KCNH2 (0.46) NPY5RKCNH2OPRM1SIGMAR1ADRA1A
SCHEMBL3741478 0.85 KCNH2 (0.46) NPY5RKCNH2OPRM1SIGMAR1ADRA1A
SCHEMBL3738987 0.84 NPY5R (0.44) NPY5RKCNH2OPRM1SIGMAR1ADRA1A
SCHEMBL3738983 0.84 NPY5R (0.44) NPY5RKCNH2OPRM1SIGMAR1ADRA1A
SCHEMBL13045582 0.84 NPY5R (0.44) NPY5RKCNH2OPRM1SIGMAR1ADRA1A
SCHEMBL3737552 0.82 NPY5R (0.52) NPY5RKCNH2OPRM1SIGMAR1ADRA1A
SCHEMBL3737549 0.82 NPY5R (0.52) NPY5RKCNH2OPRM1SIGMAR1ADRA1A
SCHEMBL13045577 0.81 KCNH2 (0.44) NPY5RKCNH2OPRM1SIGMAR1ADRA1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286151-A1 1-OXA-3-Azaspiro[4,5]Decan--2-One Derivatives For The Treatment Of Eating Disorders BENTLEY JONATHAN 2010-11-11 US disclosed
US-20090042897-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2009-02-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090042897-A1 Chemical Compounds NPY5R, NPY1R, NPY2R NPY5R 1/4885KCNH2 3498/4885OPRM1 183/4885
US-20100286151-A1 1-OXA-3-Azaspiro[4,5]Decan--2-One Derivatives For The Treatment Of Eating Disorders NPY5R, NPY1R, NPY4R NPY5R 1/4885KCNH2 1865/4885OPRM1 73/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.